5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione

Systemtic Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-prop-2-enyl-isoindole-1,3-dione Openeye Name: 2-allyl-5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]isoindoline-1,3-dione CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-prop-2-enylisoindole-1,3-dione IUPAC Name: 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione Traditional Name: 2-allyl-5-(4-p-anisylpiperazin-4-ium-1-carbonyl)isoindoline-1,3-quinone Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC=C

InChI

InChI=1S/C24H25N3O4/c1-3-10-27-23(29)20-9-6-18(15-21(20)24(27)30)22(28)26-13-11-25(12-14-26)16-17-4-7-19(31-2)8-5-17/h3-9,15H,1,10-14,16H2,2H3/p+1